USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 494 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 TYR OH : rot 130:sc= 0.708 USER MOD Set 1.2: A 36 THR OG1 : rot -165:sc= 1.53 USER MOD Set 2.1: A 14 LYS NZ :NH3+ 145:sc= -0.241 (180deg=0) USER MOD Set 2.2: A 16 ASN : amide:sc= -4.57! C(o=-4.8!,f=-17!) USER MOD Set 2.3: A 18 THR OG1 : rot 180:sc= 0.0116 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 127:sc= -1.14 USER MOD Single : A 10 ASN : amide:sc= -4.17! C(o=-4.2!,f=-12!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 33:sc= 0.444 USER MOD Single : A 35 ASN :FLIP amide:sc= -2.04 F(o=-3.3!,f=-2) USER MOD Single : A 38 ASN : amide:sc= -7.36! C(o=-7.4!,f=-12!) USER MOD Single : A 42 ASN : amide:sc= -3.1! C(o=-3.1!,f=-9.6!) USER MOD Single : A 48 ASN : amide:sc= -4.89! C(o=-4.9!,f=-5!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 0:sc= -2.2 USER MOD Single : A 61 LYS NZ :NH3+ -151:sc= 1.28 (180deg=1.28) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 43 N LYS A 4 -1.394 11.156 7.438 1.00 0.00 N ATOM 44 CA LYS A 4 -0.567 9.980 7.648 1.00 0.00 C ATOM 45 C LYS A 4 -0.831 8.970 6.528 1.00 0.00 C ATOM 46 O LYS A 4 -1.980 8.733 6.159 1.00 0.00 O ATOM 47 CB LYS A 4 -0.789 9.412 9.051 1.00 0.00 C ATOM 48 CG LYS A 4 0.545 9.080 9.725 1.00 0.00 C ATOM 49 CD LYS A 4 0.567 7.628 10.207 1.00 0.00 C ATOM 50 CE LYS A 4 1.911 6.966 9.892 1.00 0.00 C ATOM 51 NZ LYS A 4 2.830 7.087 11.046 1.00 0.00 N ATOM 0 HA LYS A 4 0.489 10.244 7.599 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -1.337 10.133 9.657 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -1.404 8.514 8.991 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.363 9.247 9.024 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.707 9.750 10.569 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.384 7.595 11.281 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -0.238 7.070 9.729 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.758 5.914 9.650 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.357 7.433 9.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.737 6.633 10.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.990 8.092 11.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.410 6.621 11.875 1.00 0.00 H new ATOM 65 N LEU A 5 0.253 8.404 6.018 1.00 0.00 N ATOM 66 CA LEU A 5 0.154 7.426 4.949 1.00 0.00 C ATOM 67 C LEU A 5 1.299 6.419 5.076 1.00 0.00 C ATOM 68 O LEU A 5 2.274 6.668 5.783 1.00 0.00 O ATOM 69 CB LEU A 5 0.096 8.124 3.589 1.00 0.00 C ATOM 70 CG LEU A 5 1.033 9.320 3.408 1.00 0.00 C ATOM 71 CD1 LEU A 5 0.586 10.502 4.272 1.00 0.00 C ATOM 72 CD2 LEU A 5 2.485 8.926 3.685 1.00 0.00 C ATOM 0 H LEU A 5 1.205 8.604 6.326 1.00 0.00 H new ATOM 0 HA LEU A 5 -0.776 6.863 5.032 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.323 7.390 2.816 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -0.927 8.460 3.419 1.00 0.00 H new ATOM 0 HG LEU A 5 0.979 9.642 2.368 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.269 11.339 4.125 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.422 10.801 3.986 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.593 10.208 5.322 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.130 9.794 3.549 1.00 0.00 H new ATOM 0 HD22 LEU A 5 2.575 8.564 4.709 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.786 8.139 2.994 1.00 0.00 H new ATOM 84 N TYR A 6 1.142 5.303 4.380 1.00 0.00 N ATOM 85 CA TYR A 6 2.151 4.257 4.405 1.00 0.00 C ATOM 86 C TYR A 6 2.510 3.806 2.988 1.00 0.00 C ATOM 87 O TYR A 6 1.703 3.170 2.312 1.00 0.00 O ATOM 88 CB TYR A 6 1.522 3.082 5.157 1.00 0.00 C ATOM 89 CG TYR A 6 2.538 2.085 5.716 1.00 0.00 C ATOM 90 CD1 TYR A 6 3.524 2.516 6.581 1.00 0.00 C ATOM 91 CD2 TYR A 6 2.469 0.755 5.355 1.00 0.00 C ATOM 92 CE1 TYR A 6 4.481 1.577 7.106 1.00 0.00 C ATOM 93 CE2 TYR A 6 3.427 -0.184 5.881 1.00 0.00 C ATOM 94 CZ TYR A 6 4.385 0.273 6.731 1.00 0.00 C ATOM 95 OH TYR A 6 5.288 -0.614 7.228 1.00 0.00 O ATOM 0 H TYR A 6 0.331 5.100 3.795 1.00 0.00 H new ATOM 0 HA TYR A 6 3.064 4.617 4.879 1.00 0.00 H new ATOM 0 HB2 TYR A 6 0.920 3.470 5.978 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.844 2.556 4.486 1.00 0.00 H new ATOM 0 HD1 TYR A 6 3.577 3.557 6.864 1.00 0.00 H new ATOM 0 HD2 TYR A 6 1.697 0.418 4.679 1.00 0.00 H new ATOM 0 HE1 TYR A 6 5.258 1.901 7.783 1.00 0.00 H new ATOM 0 HE2 TYR A 6 3.385 -1.228 5.606 1.00 0.00 H new ATOM 0 HH TYR A 6 4.815 -1.368 7.637 1.00 0.00 H new ATOM 105 N GLY A 7 3.722 4.154 2.580 1.00 0.00 N ATOM 106 CA GLY A 7 4.198 3.794 1.256 1.00 0.00 C ATOM 107 C GLY A 7 3.073 3.887 0.224 1.00 0.00 C ATOM 108 O GLY A 7 2.790 2.919 -0.481 1.00 0.00 O ATOM 0 H GLY A 7 4.388 4.682 3.144 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.016 4.454 0.968 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.598 2.780 1.273 1.00 0.00 H new ATOM 112 N ASP A 8 2.460 5.060 0.169 1.00 0.00 N ATOM 113 CA ASP A 8 1.371 5.292 -0.765 1.00 0.00 C ATOM 114 C ASP A 8 1.889 5.132 -2.196 1.00 0.00 C ATOM 115 O ASP A 8 3.077 5.317 -2.453 1.00 0.00 O ATOM 116 CB ASP A 8 0.814 6.709 -0.619 1.00 0.00 C ATOM 117 CG ASP A 8 -0.621 6.895 -1.120 1.00 0.00 C ATOM 118 OD1 ASP A 8 -0.847 6.599 -2.313 1.00 0.00 O ATOM 119 OD2 ASP A 8 -1.457 7.329 -0.298 1.00 0.00 O ATOM 0 H ASP A 8 2.696 5.860 0.756 1.00 0.00 H new ATOM 0 HA ASP A 8 0.583 4.571 -0.550 1.00 0.00 H new ATOM 0 HB2 ASP A 8 0.855 6.993 0.433 1.00 0.00 H new ATOM 0 HB3 ASP A 8 1.464 7.396 -1.161 1.00 0.00 H new ATOM 124 N VAL A 9 0.972 4.791 -3.088 1.00 0.00 N ATOM 125 CA VAL A 9 1.320 4.604 -4.487 1.00 0.00 C ATOM 126 C VAL A 9 1.206 5.943 -5.219 1.00 0.00 C ATOM 127 O VAL A 9 2.190 6.441 -5.764 1.00 0.00 O ATOM 128 CB VAL A 9 0.446 3.510 -5.102 1.00 0.00 C ATOM 129 CG1 VAL A 9 0.734 3.354 -6.597 1.00 0.00 C ATOM 130 CG2 VAL A 9 0.633 2.181 -4.367 1.00 0.00 C ATOM 0 H VAL A 9 -0.013 4.639 -2.870 1.00 0.00 H new ATOM 0 HA VAL A 9 2.352 4.268 -4.582 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.596 3.811 -4.991 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.099 2.570 -7.010 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.527 4.295 -7.107 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.781 3.086 -6.740 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.000 1.420 -4.824 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.676 1.873 -4.433 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.356 2.302 -3.320 1.00 0.00 H new ATOM 140 N ASN A 10 -0.002 6.486 -5.208 1.00 0.00 N ATOM 141 CA ASN A 10 -0.256 7.757 -5.865 1.00 0.00 C ATOM 142 C ASN A 10 -0.040 8.895 -4.866 1.00 0.00 C ATOM 143 O ASN A 10 0.053 10.058 -5.255 1.00 0.00 O ATOM 144 CB ASN A 10 -1.700 7.838 -6.368 1.00 0.00 C ATOM 145 CG ASN A 10 -2.681 7.349 -5.300 1.00 0.00 C ATOM 146 OD1 ASN A 10 -2.360 7.247 -4.127 1.00 0.00 O ATOM 147 ND2 ASN A 10 -3.890 7.057 -5.769 1.00 0.00 N ATOM 0 H ASN A 10 -0.815 6.070 -4.755 1.00 0.00 H new ATOM 0 HA ASN A 10 0.427 7.842 -6.711 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -1.937 8.866 -6.641 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.809 7.236 -7.270 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.616 6.725 -5.135 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -4.091 7.165 -6.763 1.00 0.00 H new ATOM 154 N ASP A 11 0.034 8.519 -3.598 1.00 0.00 N ATOM 155 CA ASP A 11 0.239 9.494 -2.540 1.00 0.00 C ATOM 156 C ASP A 11 -1.036 10.322 -2.362 1.00 0.00 C ATOM 157 O ASP A 11 -0.985 11.551 -2.343 1.00 0.00 O ATOM 158 CB ASP A 11 1.380 10.453 -2.886 1.00 0.00 C ATOM 159 CG ASP A 11 2.085 11.081 -1.683 1.00 0.00 C ATOM 160 OD1 ASP A 11 1.542 10.934 -0.566 1.00 0.00 O ATOM 161 OD2 ASP A 11 3.152 11.692 -1.906 1.00 0.00 O ATOM 0 H ASP A 11 -0.044 7.553 -3.279 1.00 0.00 H new ATOM 0 HA ASP A 11 0.488 8.953 -1.627 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.118 9.915 -3.481 1.00 0.00 H new ATOM 0 HB3 ASP A 11 0.985 11.252 -3.514 1.00 0.00 H new ATOM 166 N ASP A 12 -2.149 9.615 -2.235 1.00 0.00 N ATOM 167 CA ASP A 12 -3.435 10.268 -2.059 1.00 0.00 C ATOM 168 C ASP A 12 -4.014 9.887 -0.695 1.00 0.00 C ATOM 169 O ASP A 12 -4.701 10.687 -0.062 1.00 0.00 O ATOM 170 CB ASP A 12 -4.429 9.827 -3.135 1.00 0.00 C ATOM 171 CG ASP A 12 -5.187 8.534 -2.824 1.00 0.00 C ATOM 172 OD1 ASP A 12 -5.898 8.526 -1.797 1.00 0.00 O ATOM 173 OD2 ASP A 12 -5.036 7.583 -3.621 1.00 0.00 O ATOM 0 H ASP A 12 -2.187 8.596 -2.250 1.00 0.00 H new ATOM 0 HA ASP A 12 -3.279 11.344 -2.132 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.153 10.627 -3.289 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.891 9.698 -4.074 1.00 0.00 H new ATOM 178 N GLY A 13 -3.714 8.663 -0.282 1.00 0.00 N ATOM 179 CA GLY A 13 -4.197 8.166 0.995 1.00 0.00 C ATOM 180 C GLY A 13 -3.255 7.100 1.559 1.00 0.00 C ATOM 181 O GLY A 13 -2.604 7.319 2.580 1.00 0.00 O ATOM 0 H GLY A 13 -3.143 8.002 -0.809 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.283 8.991 1.702 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.195 7.746 0.872 1.00 0.00 H new ATOM 185 N LYS A 14 -3.212 5.970 0.870 1.00 0.00 N ATOM 186 CA LYS A 14 -2.361 4.869 1.289 1.00 0.00 C ATOM 187 C LYS A 14 -2.398 3.768 0.228 1.00 0.00 C ATOM 188 O LYS A 14 -3.399 3.607 -0.470 1.00 0.00 O ATOM 189 CB LYS A 14 -2.755 4.390 2.687 1.00 0.00 C ATOM 190 CG LYS A 14 -4.268 4.490 2.896 1.00 0.00 C ATOM 191 CD LYS A 14 -5.015 3.550 1.948 1.00 0.00 C ATOM 192 CE LYS A 14 -6.447 3.310 2.431 1.00 0.00 C ATOM 193 NZ LYS A 14 -7.402 4.128 1.649 1.00 0.00 N ATOM 0 H LYS A 14 -3.753 5.792 0.024 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.325 5.198 1.370 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.433 3.358 2.826 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.240 4.988 3.439 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.513 4.242 3.929 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.595 5.516 2.729 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.032 3.977 0.945 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.486 2.599 1.881 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.698 2.254 2.333 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.527 3.559 3.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.290 3.601 1.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -7.595 5.015 2.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.993 4.343 0.717 1.00 0.00 H new ATOM 207 N VAL A 15 -1.295 3.039 0.139 1.00 0.00 N ATOM 208 CA VAL A 15 -1.190 1.957 -0.826 1.00 0.00 C ATOM 209 C VAL A 15 -2.256 0.903 -0.523 1.00 0.00 C ATOM 210 O VAL A 15 -2.244 0.290 0.543 1.00 0.00 O ATOM 211 CB VAL A 15 0.231 1.389 -0.821 1.00 0.00 C ATOM 212 CG1 VAL A 15 0.688 1.068 0.604 1.00 0.00 C ATOM 213 CG2 VAL A 15 0.332 0.155 -1.720 1.00 0.00 C ATOM 0 H VAL A 15 -0.467 3.176 0.719 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.376 2.325 -1.835 1.00 0.00 H new ATOM 0 HB VAL A 15 0.898 2.152 -1.223 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.701 0.666 0.579 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.673 1.978 1.204 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.016 0.332 1.044 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.352 -0.229 -1.698 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.352 -0.614 -1.361 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.068 0.427 -2.742 1.00 0.00 H new ATOM 223 N ASN A 16 -3.154 0.724 -1.481 1.00 0.00 N ATOM 224 CA ASN A 16 -4.225 -0.245 -1.330 1.00 0.00 C ATOM 225 C ASN A 16 -4.782 -0.603 -2.710 1.00 0.00 C ATOM 226 O ASN A 16 -4.160 -0.308 -3.730 1.00 0.00 O ATOM 227 CB ASN A 16 -5.371 0.326 -0.492 1.00 0.00 C ATOM 228 CG ASN A 16 -6.057 1.484 -1.218 1.00 0.00 C ATOM 229 OD1 ASN A 16 -5.772 1.789 -2.365 1.00 0.00 O ATOM 230 ND2 ASN A 16 -6.975 2.112 -0.489 1.00 0.00 N ATOM 0 H ASN A 16 -3.161 1.234 -2.364 1.00 0.00 H new ATOM 0 HA ASN A 16 -3.816 -1.124 -0.831 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.098 -0.458 -0.282 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -4.987 0.670 0.468 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -7.489 2.900 -0.884 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -7.165 1.806 0.465 1.00 0.00 H new ATOM 237 N SER A 17 -5.947 -1.233 -2.698 1.00 0.00 N ATOM 238 CA SER A 17 -6.594 -1.634 -3.936 1.00 0.00 C ATOM 239 C SER A 17 -6.853 -0.407 -4.812 1.00 0.00 C ATOM 240 O SER A 17 -6.657 -0.453 -6.025 1.00 0.00 O ATOM 241 CB SER A 17 -7.905 -2.373 -3.658 1.00 0.00 C ATOM 242 OG SER A 17 -8.543 -2.800 -4.859 1.00 0.00 O ATOM 0 H SER A 17 -6.460 -1.476 -1.851 1.00 0.00 H new ATOM 0 HA SER A 17 -5.928 -2.316 -4.464 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.706 -3.238 -3.026 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.578 -1.720 -3.102 1.00 0.00 H new ATOM 0 HG SER A 17 -9.375 -3.269 -4.639 1.00 0.00 H new ATOM 248 N THR A 18 -7.290 0.663 -4.163 1.00 0.00 N ATOM 249 CA THR A 18 -7.578 1.900 -4.868 1.00 0.00 C ATOM 250 C THR A 18 -6.370 2.331 -5.704 1.00 0.00 C ATOM 251 O THR A 18 -6.522 3.020 -6.711 1.00 0.00 O ATOM 252 CB THR A 18 -8.004 2.946 -3.835 1.00 0.00 C ATOM 253 OG1 THR A 18 -9.053 2.309 -3.110 1.00 0.00 O ATOM 254 CG2 THR A 18 -8.678 4.161 -4.475 1.00 0.00 C ATOM 0 H THR A 18 -7.451 0.698 -3.156 1.00 0.00 H new ATOM 0 HA THR A 18 -8.396 1.769 -5.577 1.00 0.00 H new ATOM 0 HB THR A 18 -7.132 3.272 -3.268 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.388 2.916 -2.417 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.960 4.872 -3.698 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.986 4.638 -5.169 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.569 3.840 -5.015 1.00 0.00 H new ATOM 262 N ASP A 19 -5.199 1.905 -5.257 1.00 0.00 N ATOM 263 CA ASP A 19 -3.966 2.236 -5.951 1.00 0.00 C ATOM 264 C ASP A 19 -3.574 1.077 -6.869 1.00 0.00 C ATOM 265 O ASP A 19 -2.424 0.978 -7.293 1.00 0.00 O ATOM 266 CB ASP A 19 -2.821 2.464 -4.962 1.00 0.00 C ATOM 267 CG ASP A 19 -2.853 3.810 -4.235 1.00 0.00 C ATOM 268 OD1 ASP A 19 -3.504 4.731 -4.773 1.00 0.00 O ATOM 269 OD2 ASP A 19 -2.226 3.887 -3.156 1.00 0.00 O ATOM 0 H ASP A 19 -5.077 1.333 -4.422 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.136 3.148 -6.522 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.838 1.666 -4.219 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.876 2.380 -5.498 1.00 0.00 H new ATOM 274 N ALA A 20 -4.554 0.229 -7.148 1.00 0.00 N ATOM 275 CA ALA A 20 -4.325 -0.920 -8.007 1.00 0.00 C ATOM 276 C ALA A 20 -3.904 -0.437 -9.397 1.00 0.00 C ATOM 277 O ALA A 20 -3.116 -1.094 -10.074 1.00 0.00 O ATOM 278 CB ALA A 20 -5.587 -1.785 -8.050 1.00 0.00 C ATOM 0 H ALA A 20 -5.507 0.315 -6.795 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.518 -1.538 -7.613 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.415 -2.647 -8.694 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.828 -2.127 -7.043 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.417 -1.198 -8.443 1.00 0.00 H new ATOM 284 N VAL A 21 -4.447 0.710 -9.779 1.00 0.00 N ATOM 285 CA VAL A 21 -4.138 1.289 -11.075 1.00 0.00 C ATOM 286 C VAL A 21 -2.620 1.401 -11.229 1.00 0.00 C ATOM 287 O VAL A 21 -2.038 0.802 -12.132 1.00 0.00 O ATOM 288 CB VAL A 21 -4.856 2.631 -11.234 1.00 0.00 C ATOM 289 CG1 VAL A 21 -4.146 3.515 -12.261 1.00 0.00 C ATOM 290 CG2 VAL A 21 -6.325 2.425 -11.610 1.00 0.00 C ATOM 0 H VAL A 21 -5.099 1.254 -9.213 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.500 0.646 -11.877 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.824 3.144 -10.273 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.677 4.462 -12.355 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.123 3.703 -11.934 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.131 3.010 -13.227 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.813 3.394 -11.717 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.386 1.882 -12.553 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.824 1.852 -10.828 1.00 0.00 H new ATOM 300 N ALA A 22 -2.022 2.175 -10.334 1.00 0.00 N ATOM 301 CA ALA A 22 -0.582 2.373 -10.359 1.00 0.00 C ATOM 302 C ALA A 22 0.116 1.049 -10.044 1.00 0.00 C ATOM 303 O ALA A 22 1.042 0.648 -10.748 1.00 0.00 O ATOM 304 CB ALA A 22 -0.203 3.481 -9.375 1.00 0.00 C ATOM 0 H ALA A 22 -2.508 2.672 -9.588 1.00 0.00 H new ATOM 0 HA ALA A 22 -0.255 2.690 -11.349 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.877 3.630 -9.393 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.702 4.407 -9.660 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.513 3.196 -8.370 1.00 0.00 H new ATOM 310 N LEU A 23 -0.354 0.405 -8.985 1.00 0.00 N ATOM 311 CA LEU A 23 0.214 -0.866 -8.569 1.00 0.00 C ATOM 312 C LEU A 23 0.303 -1.801 -9.777 1.00 0.00 C ATOM 313 O LEU A 23 1.373 -2.324 -10.085 1.00 0.00 O ATOM 314 CB LEU A 23 -0.579 -1.449 -7.398 1.00 0.00 C ATOM 315 CG LEU A 23 -0.672 -2.975 -7.345 1.00 0.00 C ATOM 316 CD1 LEU A 23 -0.830 -3.466 -5.904 1.00 0.00 C ATOM 317 CD2 LEU A 23 -1.795 -3.487 -8.250 1.00 0.00 C ATOM 0 H LEU A 23 -1.122 0.740 -8.403 1.00 0.00 H new ATOM 0 HA LEU A 23 1.230 -0.726 -8.199 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.127 -1.100 -6.469 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.590 -1.044 -7.432 1.00 0.00 H new ATOM 0 HG LEU A 23 0.263 -3.387 -7.725 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.894 -4.554 -5.895 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.030 -3.148 -5.315 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.739 -3.046 -5.474 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.840 -4.575 -8.194 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.746 -3.067 -7.923 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.600 -3.184 -9.279 1.00 0.00 H new ATOM 329 N LYS A 24 -0.836 -1.982 -10.430 1.00 0.00 N ATOM 330 CA LYS A 24 -0.900 -2.845 -11.598 1.00 0.00 C ATOM 331 C LYS A 24 0.303 -2.563 -12.500 1.00 0.00 C ATOM 332 O LYS A 24 0.977 -3.490 -12.949 1.00 0.00 O ATOM 333 CB LYS A 24 -2.248 -2.690 -12.305 1.00 0.00 C ATOM 334 CG LYS A 24 -2.444 -3.784 -13.356 1.00 0.00 C ATOM 335 CD LYS A 24 -3.881 -3.788 -13.882 1.00 0.00 C ATOM 336 CE LYS A 24 -4.242 -5.148 -14.482 1.00 0.00 C ATOM 337 NZ LYS A 24 -5.626 -5.132 -15.006 1.00 0.00 N ATOM 0 H LYS A 24 -1.721 -1.546 -10.173 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.840 -3.892 -11.302 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.054 -2.735 -11.573 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.303 -1.710 -12.780 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.751 -3.628 -14.183 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.209 -4.756 -12.922 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.569 -3.550 -13.071 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.998 -3.011 -14.637 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.546 -5.395 -15.284 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.143 -5.925 -13.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.855 -6.063 -15.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.288 -4.918 -14.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.709 -4.404 -15.744 1.00 0.00 H new ATOM 351 N ARG A 25 0.536 -1.282 -12.740 1.00 0.00 N ATOM 352 CA ARG A 25 1.647 -0.867 -13.581 1.00 0.00 C ATOM 353 C ARG A 25 2.978 -1.239 -12.924 1.00 0.00 C ATOM 354 O ARG A 25 3.939 -1.580 -13.612 1.00 0.00 O ATOM 355 CB ARG A 25 1.614 0.642 -13.833 1.00 0.00 C ATOM 356 CG ARG A 25 0.267 1.070 -14.419 1.00 0.00 C ATOM 357 CD ARG A 25 -0.225 0.062 -15.459 1.00 0.00 C ATOM 358 NE ARG A 25 0.750 -0.037 -16.568 1.00 0.00 N ATOM 359 CZ ARG A 25 0.578 -0.805 -17.652 1.00 0.00 C ATOM 360 NH1 ARG A 25 -0.530 -1.548 -17.778 1.00 0.00 N ATOM 361 NH2 ARG A 25 1.515 -0.832 -18.609 1.00 0.00 N ATOM 0 H ARG A 25 -0.025 -0.516 -12.367 1.00 0.00 H new ATOM 0 HA ARG A 25 1.552 -1.385 -14.535 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.794 1.174 -12.899 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.417 0.918 -14.517 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.469 1.161 -13.620 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.363 2.054 -14.878 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.361 -0.915 -14.995 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.197 0.370 -15.845 1.00 0.00 H new ATOM 0 HE ARG A 25 1.606 0.514 -16.503 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.243 -1.529 -17.048 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.661 -2.133 -18.603 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.359 -0.268 -18.512 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.384 -1.417 -19.434 1.00 0.00 H new ATOM 375 N TYR A 26 2.990 -1.161 -11.601 1.00 0.00 N ATOM 376 CA TYR A 26 4.188 -1.486 -10.845 1.00 0.00 C ATOM 377 C TYR A 26 4.412 -2.999 -10.795 1.00 0.00 C ATOM 378 O TYR A 26 5.552 -3.459 -10.758 1.00 0.00 O ATOM 379 CB TYR A 26 3.940 -0.972 -9.424 1.00 0.00 C ATOM 380 CG TYR A 26 5.120 -1.180 -8.473 1.00 0.00 C ATOM 381 CD1 TYR A 26 5.325 -2.413 -7.886 1.00 0.00 C ATOM 382 CD2 TYR A 26 5.981 -0.136 -8.202 1.00 0.00 C ATOM 383 CE1 TYR A 26 6.435 -2.608 -6.991 1.00 0.00 C ATOM 384 CE2 TYR A 26 7.092 -0.332 -7.308 1.00 0.00 C ATOM 385 CZ TYR A 26 7.264 -1.558 -6.746 1.00 0.00 C ATOM 386 OH TYR A 26 8.313 -1.743 -5.900 1.00 0.00 O ATOM 0 H TYR A 26 2.191 -0.878 -11.034 1.00 0.00 H new ATOM 0 HA TYR A 26 5.067 -1.036 -11.306 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.706 0.092 -9.469 1.00 0.00 H new ATOM 0 HB3 TYR A 26 3.064 -1.474 -9.015 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.652 -3.231 -8.099 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.821 0.828 -8.661 1.00 0.00 H new ATOM 0 HE1 TYR A 26 6.606 -3.567 -6.524 1.00 0.00 H new ATOM 0 HE2 TYR A 26 7.774 0.477 -7.089 1.00 0.00 H new ATOM 0 HH TYR A 26 9.135 -1.416 -6.322 1.00 0.00 H new ATOM 396 N VAL A 27 3.307 -3.729 -10.796 1.00 0.00 N ATOM 397 CA VAL A 27 3.369 -5.180 -10.751 1.00 0.00 C ATOM 398 C VAL A 27 3.772 -5.711 -12.129 1.00 0.00 C ATOM 399 O VAL A 27 4.705 -6.504 -12.243 1.00 0.00 O ATOM 400 CB VAL A 27 2.036 -5.746 -10.259 1.00 0.00 C ATOM 401 CG1 VAL A 27 2.123 -7.260 -10.060 1.00 0.00 C ATOM 402 CG2 VAL A 27 1.585 -5.049 -8.974 1.00 0.00 C ATOM 0 H VAL A 27 2.363 -3.343 -10.827 1.00 0.00 H new ATOM 0 HA VAL A 27 4.128 -5.508 -10.041 1.00 0.00 H new ATOM 0 HB VAL A 27 1.286 -5.552 -11.026 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.162 -7.637 -9.710 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.377 -7.737 -11.006 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.892 -7.486 -9.322 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.635 -5.470 -8.646 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.335 -5.197 -8.197 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.463 -3.982 -9.162 1.00 0.00 H new ATOM 412 N LEU A 28 3.049 -5.252 -13.139 1.00 0.00 N ATOM 413 CA LEU A 28 3.320 -5.671 -14.504 1.00 0.00 C ATOM 414 C LEU A 28 4.787 -5.396 -14.836 1.00 0.00 C ATOM 415 O LEU A 28 5.412 -6.152 -15.579 1.00 0.00 O ATOM 416 CB LEU A 28 2.336 -5.010 -15.473 1.00 0.00 C ATOM 417 CG LEU A 28 1.342 -5.948 -16.161 1.00 0.00 C ATOM 418 CD1 LEU A 28 2.063 -6.921 -17.095 1.00 0.00 C ATOM 419 CD2 LEU A 28 0.473 -6.676 -15.134 1.00 0.00 C ATOM 0 H LEU A 28 2.276 -4.594 -13.040 1.00 0.00 H new ATOM 0 HA LEU A 28 3.165 -6.745 -14.610 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.773 -4.252 -14.928 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.907 -4.490 -16.242 1.00 0.00 H new ATOM 0 HG LEU A 28 0.674 -5.345 -16.777 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.334 -7.576 -17.571 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.601 -6.360 -17.860 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.769 -7.521 -16.521 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.224 -7.336 -15.650 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.108 -7.265 -14.472 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.085 -5.946 -14.547 1.00 0.00 H new ATOM 431 N ARG A 29 5.296 -4.311 -14.268 1.00 0.00 N ATOM 432 CA ARG A 29 6.679 -3.927 -14.495 1.00 0.00 C ATOM 433 C ARG A 29 7.066 -2.768 -13.574 1.00 0.00 C ATOM 434 O ARG A 29 6.217 -2.218 -12.874 1.00 0.00 O ATOM 435 CB ARG A 29 6.904 -3.510 -15.950 1.00 0.00 C ATOM 436 CG ARG A 29 5.872 -2.468 -16.388 1.00 0.00 C ATOM 437 CD ARG A 29 6.258 -1.073 -15.892 1.00 0.00 C ATOM 438 NE ARG A 29 6.335 -0.135 -17.034 1.00 0.00 N ATOM 439 CZ ARG A 29 7.413 0.010 -17.816 1.00 0.00 C ATOM 440 NH1 ARG A 29 8.511 -0.722 -17.585 1.00 0.00 N ATOM 441 NH2 ARG A 29 7.394 0.886 -18.830 1.00 0.00 N ATOM 0 H ARG A 29 4.775 -3.687 -13.652 1.00 0.00 H new ATOM 0 HA ARG A 29 7.303 -4.793 -14.277 1.00 0.00 H new ATOM 0 HB2 ARG A 29 7.908 -3.102 -16.064 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.840 -4.385 -16.597 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.794 -2.463 -17.475 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.890 -2.737 -15.999 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.524 -0.719 -15.168 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.218 -1.113 -15.378 1.00 0.00 H new ATOM 0 HE ARG A 29 5.516 0.437 -17.239 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.526 -1.390 -16.814 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.332 -0.612 -18.180 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.558 1.443 -19.007 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.215 0.996 -19.425 1.00 0.00 H new ATOM 455 N SER A 30 8.346 -2.432 -13.605 1.00 0.00 N ATOM 456 CA SER A 30 8.856 -1.349 -12.781 1.00 0.00 C ATOM 457 C SER A 30 9.153 -0.126 -13.650 1.00 0.00 C ATOM 458 O SER A 30 10.285 0.064 -14.095 1.00 0.00 O ATOM 459 CB SER A 30 10.113 -1.779 -12.021 1.00 0.00 C ATOM 460 OG SER A 30 9.799 -2.530 -10.852 1.00 0.00 O ATOM 0 H SER A 30 9.046 -2.890 -14.188 1.00 0.00 H new ATOM 0 HA SER A 30 8.093 -1.089 -12.048 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.746 -2.377 -12.677 1.00 0.00 H new ATOM 0 HB3 SER A 30 10.687 -0.896 -11.741 1.00 0.00 H new ATOM 0 HG SER A 30 10.627 -2.787 -10.396 1.00 0.00 H new ATOM 466 N GLY A 31 8.119 0.672 -13.867 1.00 0.00 N ATOM 467 CA GLY A 31 8.254 1.872 -14.676 1.00 0.00 C ATOM 468 C GLY A 31 7.507 3.047 -14.043 1.00 0.00 C ATOM 469 O GLY A 31 8.032 4.157 -13.974 1.00 0.00 O ATOM 0 H GLY A 31 7.182 0.511 -13.496 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.309 2.124 -14.786 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.865 1.686 -15.677 1.00 0.00 H new ATOM 473 N ILE A 32 6.292 2.763 -13.597 1.00 0.00 N ATOM 474 CA ILE A 32 5.466 3.783 -12.972 1.00 0.00 C ATOM 475 C ILE A 32 6.184 4.327 -11.736 1.00 0.00 C ATOM 476 O ILE A 32 7.009 3.637 -11.139 1.00 0.00 O ATOM 477 CB ILE A 32 4.068 3.235 -12.682 1.00 0.00 C ATOM 478 CG1 ILE A 32 3.171 4.317 -12.074 1.00 0.00 C ATOM 479 CG2 ILE A 32 4.140 1.988 -11.798 1.00 0.00 C ATOM 480 CD1 ILE A 32 1.726 3.828 -11.955 1.00 0.00 C ATOM 0 H ILE A 32 5.859 1.841 -13.656 1.00 0.00 H new ATOM 0 HA ILE A 32 5.319 4.624 -13.650 1.00 0.00 H new ATOM 0 HB ILE A 32 3.616 2.934 -13.627 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.547 4.595 -11.089 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.206 5.213 -12.693 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.132 1.619 -11.607 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.720 1.216 -12.304 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.619 2.240 -10.852 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.110 4.615 -11.520 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.345 3.574 -12.944 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.692 2.946 -11.315 1.00 0.00 H new ATOM 492 N SER A 33 5.842 5.558 -11.386 1.00 0.00 N ATOM 493 CA SER A 33 6.444 6.203 -10.231 1.00 0.00 C ATOM 494 C SER A 33 5.498 6.114 -9.032 1.00 0.00 C ATOM 495 O SER A 33 4.385 6.636 -9.075 1.00 0.00 O ATOM 496 CB SER A 33 6.787 7.663 -10.531 1.00 0.00 C ATOM 497 OG SER A 33 5.630 8.425 -10.864 1.00 0.00 O ATOM 0 H SER A 33 5.155 6.126 -11.882 1.00 0.00 H new ATOM 0 HA SER A 33 7.372 5.683 -9.993 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.276 8.106 -9.663 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.499 7.706 -11.355 1.00 0.00 H new ATOM 0 HG SER A 33 4.858 8.082 -10.367 1.00 0.00 H new ATOM 503 N ILE A 34 5.976 5.451 -7.989 1.00 0.00 N ATOM 504 CA ILE A 34 5.187 5.288 -6.779 1.00 0.00 C ATOM 505 C ILE A 34 6.123 5.193 -5.574 1.00 0.00 C ATOM 506 O ILE A 34 7.258 4.734 -5.699 1.00 0.00 O ATOM 507 CB ILE A 34 4.237 4.097 -6.916 1.00 0.00 C ATOM 508 CG1 ILE A 34 4.946 2.787 -6.565 1.00 0.00 C ATOM 509 CG2 ILE A 34 3.610 4.053 -8.311 1.00 0.00 C ATOM 510 CD1 ILE A 34 4.268 2.098 -5.379 1.00 0.00 C ATOM 0 H ILE A 34 6.900 5.020 -7.957 1.00 0.00 H new ATOM 0 HA ILE A 34 4.550 6.158 -6.619 1.00 0.00 H new ATOM 0 HB ILE A 34 3.424 4.225 -6.201 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.939 2.123 -7.429 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.990 2.987 -6.326 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.939 3.197 -8.382 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.048 4.970 -8.486 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.396 3.961 -9.060 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.791 1.170 -5.150 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.298 2.756 -4.510 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.231 1.877 -5.631 1.00 0.00 H new ATOM 522 N ASN A 35 5.613 5.635 -4.433 1.00 0.00 N ATOM 523 CA ASN A 35 6.390 5.605 -3.205 1.00 0.00 C ATOM 524 C ASN A 35 6.552 4.155 -2.744 1.00 0.00 C ATOM 525 O ASN A 35 6.002 3.763 -1.716 1.00 0.00 O ATOM 526 CB ASN A 35 5.688 6.381 -2.090 1.00 0.00 C ATOM 527 CG ASN A 35 4.894 7.560 -2.658 1.00 0.00 C ATOM 528 OD1 ASN A 35 3.680 7.697 -2.132 1.00 0.00 O flip ATOM 529 ND2 ASN A 35 5.353 8.295 -3.516 1.00 0.00 N flip ATOM 0 H ASN A 35 4.672 6.016 -4.333 1.00 0.00 H new ATOM 0 HA ASN A 35 7.358 6.063 -3.407 1.00 0.00 H new ATOM 0 HB2 ASN A 35 5.018 5.716 -1.545 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.426 6.746 -1.375 1.00 0.00 H new ATOM 0 HD21 ASN A 35 6.293 8.133 -3.877 1.00 0.00 H new ATOM 0 HD22 ASN A 35 4.797 9.072 -3.873 1.00 0.00 H new ATOM 536 N THR A 36 7.308 3.399 -3.525 1.00 0.00 N ATOM 537 CA THR A 36 7.549 2.002 -3.209 1.00 0.00 C ATOM 538 C THR A 36 8.736 1.868 -2.253 1.00 0.00 C ATOM 539 O THR A 36 9.389 0.827 -2.210 1.00 0.00 O ATOM 540 CB THR A 36 7.742 1.246 -4.526 1.00 0.00 C ATOM 541 OG1 THR A 36 7.519 -0.118 -4.178 1.00 0.00 O ATOM 542 CG2 THR A 36 9.192 1.275 -5.011 1.00 0.00 C ATOM 0 H THR A 36 7.762 3.728 -4.377 1.00 0.00 H new ATOM 0 HA THR A 36 6.699 1.563 -2.686 1.00 0.00 H new ATOM 0 HB THR A 36 7.096 1.677 -5.290 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.852 -0.697 -4.895 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.273 0.724 -5.948 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.502 2.308 -5.169 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.835 0.813 -4.262 1.00 0.00 H new ATOM 550 N ASP A 37 8.979 2.938 -1.510 1.00 0.00 N ATOM 551 CA ASP A 37 10.076 2.952 -0.556 1.00 0.00 C ATOM 552 C ASP A 37 9.586 2.407 0.787 1.00 0.00 C ATOM 553 O ASP A 37 10.307 1.675 1.464 1.00 0.00 O ATOM 554 CB ASP A 37 10.589 4.375 -0.330 1.00 0.00 C ATOM 555 CG ASP A 37 11.715 4.814 -1.269 1.00 0.00 C ATOM 556 OD1 ASP A 37 12.122 3.973 -2.098 1.00 0.00 O ATOM 557 OD2 ASP A 37 12.141 5.981 -1.136 1.00 0.00 O ATOM 0 H ASP A 37 8.436 3.801 -1.549 1.00 0.00 H new ATOM 0 HA ASP A 37 10.881 2.337 -0.958 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.754 5.068 -0.439 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.940 4.459 0.698 1.00 0.00 H new ATOM 562 N ASN A 38 8.363 2.783 1.132 1.00 0.00 N ATOM 563 CA ASN A 38 7.769 2.342 2.382 1.00 0.00 C ATOM 564 C ASN A 38 6.469 1.590 2.086 1.00 0.00 C ATOM 565 O ASN A 38 5.678 1.330 2.991 1.00 0.00 O ATOM 566 CB ASN A 38 7.432 3.531 3.282 1.00 0.00 C ATOM 567 CG ASN A 38 6.861 4.693 2.466 1.00 0.00 C ATOM 568 OD1 ASN A 38 7.144 4.857 1.291 1.00 0.00 O ATOM 569 ND2 ASN A 38 6.043 5.485 3.153 1.00 0.00 N ATOM 0 H ASN A 38 7.767 3.388 0.567 1.00 0.00 H new ATOM 0 HA ASN A 38 8.489 1.699 2.889 1.00 0.00 H new ATOM 0 HB2 ASN A 38 6.711 3.225 4.040 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.328 3.858 3.809 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.609 6.288 2.698 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.849 5.289 4.135 1.00 0.00 H new ATOM 576 N ALA A 39 6.289 1.262 0.814 1.00 0.00 N ATOM 577 CA ALA A 39 5.099 0.546 0.388 1.00 0.00 C ATOM 578 C ALA A 39 5.322 -0.957 0.568 1.00 0.00 C ATOM 579 O ALA A 39 4.373 -1.706 0.799 1.00 0.00 O ATOM 580 CB ALA A 39 4.772 0.916 -1.060 1.00 0.00 C ATOM 0 H ALA A 39 6.947 1.479 0.066 1.00 0.00 H new ATOM 0 HA ALA A 39 4.242 0.829 0.999 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.879 0.379 -1.380 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.595 1.989 -1.130 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.609 0.644 -1.703 1.00 0.00 H new ATOM 586 N ASP A 40 6.580 -1.354 0.456 1.00 0.00 N ATOM 587 CA ASP A 40 6.939 -2.755 0.605 1.00 0.00 C ATOM 588 C ASP A 40 7.455 -2.997 2.024 1.00 0.00 C ATOM 589 O ASP A 40 8.326 -2.273 2.505 1.00 0.00 O ATOM 590 CB ASP A 40 8.049 -3.145 -0.374 1.00 0.00 C ATOM 591 CG ASP A 40 8.307 -4.649 -0.492 1.00 0.00 C ATOM 592 OD1 ASP A 40 7.432 -5.412 -0.029 1.00 0.00 O ATOM 593 OD2 ASP A 40 9.372 -5.000 -1.044 1.00 0.00 O ATOM 0 H ASP A 40 7.364 -0.731 0.264 1.00 0.00 H new ATOM 0 HA ASP A 40 6.051 -3.354 0.403 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.796 -2.756 -1.360 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.973 -2.656 -0.066 1.00 0.00 H new ATOM 598 N LEU A 41 6.894 -4.017 2.657 1.00 0.00 N ATOM 599 CA LEU A 41 7.286 -4.365 4.013 1.00 0.00 C ATOM 600 C LEU A 41 7.627 -5.855 4.075 1.00 0.00 C ATOM 601 O LEU A 41 8.611 -6.244 4.703 1.00 0.00 O ATOM 602 CB LEU A 41 6.205 -3.939 5.008 1.00 0.00 C ATOM 603 CG LEU A 41 5.682 -2.509 4.861 1.00 0.00 C ATOM 604 CD1 LEU A 41 6.837 -1.513 4.733 1.00 0.00 C ATOM 605 CD2 LEU A 41 4.701 -2.401 3.691 1.00 0.00 C ATOM 0 H LEU A 41 6.171 -4.614 2.256 1.00 0.00 H new ATOM 0 HA LEU A 41 8.185 -3.821 4.302 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.362 -4.624 4.914 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.601 -4.058 6.017 1.00 0.00 H new ATOM 0 HG LEU A 41 5.133 -2.252 5.767 1.00 0.00 H new ATOM 0 HD11 LEU A 41 6.438 -0.504 4.630 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.463 -1.566 5.623 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.434 -1.759 3.854 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.344 -1.374 3.609 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.204 -2.686 2.767 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.855 -3.066 3.863 1.00 0.00 H new ATOM 617 N ASN A 42 6.795 -6.647 3.416 1.00 0.00 N ATOM 618 CA ASN A 42 6.997 -8.086 3.388 1.00 0.00 C ATOM 619 C ASN A 42 7.990 -8.437 2.278 1.00 0.00 C ATOM 620 O ASN A 42 8.214 -9.611 1.990 1.00 0.00 O ATOM 621 CB ASN A 42 5.686 -8.820 3.100 1.00 0.00 C ATOM 622 CG ASN A 42 4.481 -7.976 3.519 1.00 0.00 C ATOM 623 OD1 ASN A 42 4.330 -6.829 3.134 1.00 0.00 O ATOM 624 ND2 ASN A 42 3.633 -8.607 4.328 1.00 0.00 N ATOM 0 H ASN A 42 5.980 -6.320 2.897 1.00 0.00 H new ATOM 0 HA ASN A 42 7.375 -8.392 4.363 1.00 0.00 H new ATOM 0 HB2 ASN A 42 5.621 -9.051 2.037 1.00 0.00 H new ATOM 0 HB3 ASN A 42 5.672 -9.770 3.634 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.797 -8.129 4.663 1.00 0.00 H new ATOM 0 HD22 ASN A 42 3.819 -9.569 4.612 1.00 0.00 H new ATOM 631 N GLU A 43 8.557 -7.396 1.686 1.00 0.00 N ATOM 632 CA GLU A 43 9.521 -7.580 0.614 1.00 0.00 C ATOM 633 C GLU A 43 8.842 -8.200 -0.609 1.00 0.00 C ATOM 634 O GLU A 43 9.385 -9.115 -1.228 1.00 0.00 O ATOM 635 CB GLU A 43 10.701 -8.434 1.078 1.00 0.00 C ATOM 636 CG GLU A 43 11.626 -7.637 2.000 1.00 0.00 C ATOM 637 CD GLU A 43 12.775 -8.508 2.511 1.00 0.00 C ATOM 638 OE1 GLU A 43 13.595 -8.920 1.661 1.00 0.00 O ATOM 639 OE2 GLU A 43 12.809 -8.743 3.738 1.00 0.00 O ATOM 0 H GLU A 43 8.368 -6.423 1.928 1.00 0.00 H new ATOM 0 HA GLU A 43 9.912 -6.603 0.332 1.00 0.00 H new ATOM 0 HB2 GLU A 43 10.332 -9.316 1.601 1.00 0.00 H new ATOM 0 HB3 GLU A 43 11.261 -8.788 0.212 1.00 0.00 H new ATOM 0 HG2 GLU A 43 12.028 -6.777 1.463 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.057 -7.248 2.844 1.00 0.00 H new ATOM 646 N ASP A 44 7.665 -7.679 -0.922 1.00 0.00 N ATOM 647 CA ASP A 44 6.907 -8.170 -2.060 1.00 0.00 C ATOM 648 C ASP A 44 6.769 -7.053 -3.096 1.00 0.00 C ATOM 649 O ASP A 44 6.813 -7.308 -4.298 1.00 0.00 O ATOM 650 CB ASP A 44 5.500 -8.602 -1.639 1.00 0.00 C ATOM 651 CG ASP A 44 4.741 -7.586 -0.784 1.00 0.00 C ATOM 652 OD1 ASP A 44 4.108 -6.694 -1.390 1.00 0.00 O ATOM 653 OD2 ASP A 44 4.809 -7.724 0.456 1.00 0.00 O ATOM 0 H ASP A 44 7.217 -6.921 -0.407 1.00 0.00 H new ATOM 0 HA ASP A 44 7.438 -9.026 -2.475 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.916 -8.808 -2.536 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.574 -9.538 -1.085 1.00 0.00 H new ATOM 658 N GLY A 45 6.606 -5.839 -2.592 1.00 0.00 N ATOM 659 CA GLY A 45 6.461 -4.681 -3.459 1.00 0.00 C ATOM 660 C GLY A 45 5.486 -3.666 -2.860 1.00 0.00 C ATOM 661 O GLY A 45 5.895 -2.597 -2.412 1.00 0.00 O ATOM 0 H GLY A 45 6.571 -5.631 -1.594 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.433 -4.211 -3.610 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.105 -4.998 -4.439 1.00 0.00 H new ATOM 665 N ARG A 46 4.214 -4.038 -2.873 1.00 0.00 N ATOM 666 CA ARG A 46 3.176 -3.172 -2.336 1.00 0.00 C ATOM 667 C ARG A 46 2.078 -4.007 -1.677 1.00 0.00 C ATOM 668 O ARG A 46 2.072 -4.180 -0.459 1.00 0.00 O ATOM 669 CB ARG A 46 2.559 -2.306 -3.437 1.00 0.00 C ATOM 670 CG ARG A 46 3.572 -1.293 -3.971 1.00 0.00 C ATOM 671 CD ARG A 46 4.004 -1.649 -5.395 1.00 0.00 C ATOM 672 NE ARG A 46 4.314 -3.093 -5.485 1.00 0.00 N ATOM 673 CZ ARG A 46 3.463 -4.017 -5.956 1.00 0.00 C ATOM 674 NH1 ARG A 46 2.247 -3.650 -6.383 1.00 0.00 N ATOM 675 NH2 ARG A 46 3.830 -5.304 -6.000 1.00 0.00 N ATOM 0 H ARG A 46 3.878 -4.926 -3.246 1.00 0.00 H new ATOM 0 HA ARG A 46 3.637 -2.521 -1.593 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.211 -2.941 -4.252 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.687 -1.782 -3.046 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.135 -0.295 -3.959 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.444 -1.267 -3.318 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.211 -1.395 -6.098 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.879 -1.063 -5.675 1.00 0.00 H new ATOM 0 HE ARG A 46 5.232 -3.405 -5.169 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.969 -2.669 -6.350 1.00 0.00 H new ATOM 0 HH12 ARG A 46 1.599 -4.352 -6.741 1.00 0.00 H new ATOM 0 HH21 ARG A 46 4.756 -5.582 -5.675 1.00 0.00 H new ATOM 0 HH22 ARG A 46 3.183 -6.007 -6.358 1.00 0.00 H new ATOM 689 N VAL A 47 1.174 -4.502 -2.509 1.00 0.00 N ATOM 690 CA VAL A 47 0.072 -5.315 -2.021 1.00 0.00 C ATOM 691 C VAL A 47 -0.158 -6.484 -2.982 1.00 0.00 C ATOM 692 O VAL A 47 -1.112 -6.474 -3.758 1.00 0.00 O ATOM 693 CB VAL A 47 -1.173 -4.447 -1.827 1.00 0.00 C ATOM 694 CG1 VAL A 47 -0.997 -3.494 -0.643 1.00 0.00 C ATOM 695 CG2 VAL A 47 -1.510 -3.678 -3.105 1.00 0.00 C ATOM 0 H VAL A 47 1.182 -4.356 -3.518 1.00 0.00 H new ATOM 0 HA VAL A 47 0.312 -5.738 -1.046 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.011 -5.108 -1.604 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.896 -2.888 -0.527 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.828 -4.071 0.266 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.142 -2.843 -0.824 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.399 -3.069 -2.940 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.673 -3.033 -3.373 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.699 -4.383 -3.915 1.00 0.00 H new ATOM 705 N ASN A 48 0.733 -7.461 -2.898 1.00 0.00 N ATOM 706 CA ASN A 48 0.639 -8.634 -3.750 1.00 0.00 C ATOM 707 C ASN A 48 -0.677 -9.362 -3.465 1.00 0.00 C ATOM 708 O ASN A 48 -1.407 -9.718 -4.389 1.00 0.00 O ATOM 709 CB ASN A 48 1.786 -9.608 -3.476 1.00 0.00 C ATOM 710 CG ASN A 48 1.687 -10.189 -2.064 1.00 0.00 C ATOM 711 OD1 ASN A 48 1.110 -11.239 -1.835 1.00 0.00 O ATOM 712 ND2 ASN A 48 2.281 -9.448 -1.132 1.00 0.00 N ATOM 0 H ASN A 48 1.523 -7.464 -2.253 1.00 0.00 H new ATOM 0 HA ASN A 48 0.688 -8.302 -4.787 1.00 0.00 H new ATOM 0 HB2 ASN A 48 1.765 -10.416 -4.208 1.00 0.00 H new ATOM 0 HB3 ASN A 48 2.740 -9.095 -3.596 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.271 -9.749 -0.158 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.747 -8.579 -1.392 1.00 0.00 H new ATOM 719 N SER A 49 -0.941 -9.562 -2.182 1.00 0.00 N ATOM 720 CA SER A 49 -2.154 -10.240 -1.763 1.00 0.00 C ATOM 721 C SER A 49 -2.184 -10.369 -0.239 1.00 0.00 C ATOM 722 O SER A 49 -3.240 -10.244 0.378 1.00 0.00 O ATOM 723 CB SER A 49 -2.267 -11.620 -2.415 1.00 0.00 C ATOM 724 OG SER A 49 -3.616 -12.077 -2.468 1.00 0.00 O ATOM 0 H SER A 49 -0.334 -9.265 -1.418 1.00 0.00 H new ATOM 0 HA SER A 49 -3.007 -9.644 -2.087 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.858 -11.578 -3.425 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.664 -12.335 -1.856 1.00 0.00 H new ATOM 0 HG SER A 49 -3.646 -12.960 -2.892 1.00 0.00 H new ATOM 730 N THR A 50 -1.011 -10.618 0.324 1.00 0.00 N ATOM 731 CA THR A 50 -0.888 -10.766 1.764 1.00 0.00 C ATOM 732 C THR A 50 -0.925 -9.396 2.445 1.00 0.00 C ATOM 733 O THR A 50 -1.538 -9.240 3.501 1.00 0.00 O ATOM 734 CB THR A 50 0.392 -11.553 2.052 1.00 0.00 C ATOM 735 OG1 THR A 50 0.082 -12.304 3.223 1.00 0.00 O ATOM 736 CG2 THR A 50 1.549 -10.651 2.483 1.00 0.00 C ATOM 0 H THR A 50 -0.137 -10.721 -0.191 1.00 0.00 H new ATOM 0 HA THR A 50 -1.729 -11.323 2.177 1.00 0.00 H new ATOM 0 HB THR A 50 0.681 -12.114 1.163 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.858 -12.845 3.479 1.00 0.00 H new ATOM 0 HG21 THR A 50 2.433 -11.260 2.675 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.767 -9.935 1.691 1.00 0.00 H new ATOM 0 HG23 THR A 50 1.274 -10.115 3.391 1.00 0.00 H new ATOM 744 N ASP A 51 -0.260 -8.439 1.815 1.00 0.00 N ATOM 745 CA ASP A 51 -0.210 -7.088 2.347 1.00 0.00 C ATOM 746 C ASP A 51 -1.558 -6.403 2.116 1.00 0.00 C ATOM 747 O ASP A 51 -2.061 -5.703 2.994 1.00 0.00 O ATOM 748 CB ASP A 51 0.868 -6.260 1.645 1.00 0.00 C ATOM 749 CG ASP A 51 1.948 -7.075 0.931 1.00 0.00 C ATOM 750 OD1 ASP A 51 2.715 -7.752 1.648 1.00 0.00 O ATOM 751 OD2 ASP A 51 1.980 -7.004 -0.317 1.00 0.00 O ATOM 0 H ASP A 51 0.249 -8.572 0.941 1.00 0.00 H new ATOM 0 HA ASP A 51 0.020 -7.152 3.411 1.00 0.00 H new ATOM 0 HB2 ASP A 51 0.386 -5.607 0.917 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.348 -5.616 2.382 1.00 0.00 H new ATOM 756 N LEU A 52 -2.105 -6.627 0.930 1.00 0.00 N ATOM 757 CA LEU A 52 -3.385 -6.040 0.573 1.00 0.00 C ATOM 758 C LEU A 52 -4.322 -6.098 1.781 1.00 0.00 C ATOM 759 O LEU A 52 -4.771 -5.063 2.273 1.00 0.00 O ATOM 760 CB LEU A 52 -3.953 -6.713 -0.679 1.00 0.00 C ATOM 761 CG LEU A 52 -4.579 -5.779 -1.716 1.00 0.00 C ATOM 762 CD1 LEU A 52 -4.116 -6.138 -3.129 1.00 0.00 C ATOM 763 CD2 LEU A 52 -6.105 -5.773 -1.597 1.00 0.00 C ATOM 0 H LEU A 52 -1.685 -7.207 0.204 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.263 -4.988 0.314 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -3.152 -7.274 -1.161 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.707 -7.436 -0.368 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.235 -4.765 -1.513 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.576 -5.458 -3.846 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.031 -6.050 -3.190 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.410 -7.162 -3.359 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.526 -5.101 -2.345 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.487 -6.781 -1.759 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.391 -5.432 -0.602 1.00 0.00 H new ATOM 775 N GLY A 53 -4.591 -7.318 2.223 1.00 0.00 N ATOM 776 CA GLY A 53 -5.467 -7.524 3.364 1.00 0.00 C ATOM 777 C GLY A 53 -5.015 -6.684 4.561 1.00 0.00 C ATOM 778 O GLY A 53 -5.774 -5.858 5.067 1.00 0.00 O ATOM 0 H GLY A 53 -4.218 -8.174 1.812 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.489 -7.259 3.095 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -5.473 -8.579 3.637 1.00 0.00 H new ATOM 782 N ILE A 54 -3.782 -6.926 4.980 1.00 0.00 N ATOM 783 CA ILE A 54 -3.220 -6.203 6.108 1.00 0.00 C ATOM 784 C ILE A 54 -3.468 -4.705 5.924 1.00 0.00 C ATOM 785 O ILE A 54 -3.969 -4.039 6.829 1.00 0.00 O ATOM 786 CB ILE A 54 -1.744 -6.563 6.294 1.00 0.00 C ATOM 787 CG1 ILE A 54 -1.469 -7.031 7.725 1.00 0.00 C ATOM 788 CG2 ILE A 54 -0.840 -5.397 5.889 1.00 0.00 C ATOM 789 CD1 ILE A 54 -1.820 -5.936 8.735 1.00 0.00 C ATOM 0 H ILE A 54 -3.156 -7.613 4.559 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.716 -6.497 7.033 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.510 -7.397 5.632 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.052 -7.927 7.937 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.418 -7.303 7.827 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.203 -5.679 6.031 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.010 -5.152 4.841 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.068 -4.528 6.507 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.616 -6.293 9.744 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.218 -5.050 8.535 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.877 -5.684 8.646 1.00 0.00 H new ATOM 801 N LEU A 55 -3.109 -4.218 4.745 1.00 0.00 N ATOM 802 CA LEU A 55 -3.287 -2.811 4.430 1.00 0.00 C ATOM 803 C LEU A 55 -4.770 -2.451 4.542 1.00 0.00 C ATOM 804 O LEU A 55 -5.146 -1.599 5.345 1.00 0.00 O ATOM 805 CB LEU A 55 -2.676 -2.486 3.065 1.00 0.00 C ATOM 806 CG LEU A 55 -1.162 -2.270 3.042 1.00 0.00 C ATOM 807 CD1 LEU A 55 -0.449 -3.455 2.387 1.00 0.00 C ATOM 808 CD2 LEU A 55 -0.807 -0.944 2.367 1.00 0.00 C ATOM 0 H LEU A 55 -2.695 -4.773 3.996 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.753 -2.189 5.149 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.918 -3.297 2.379 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.157 -1.588 2.678 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.810 -2.211 4.072 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.626 -3.276 2.383 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.664 -4.364 2.948 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.801 -3.570 1.362 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.275 -0.815 2.364 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.175 -0.948 1.341 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.269 -0.122 2.914 1.00 0.00 H new ATOM 820 N LYS A 56 -5.571 -3.119 3.725 1.00 0.00 N ATOM 821 CA LYS A 56 -7.004 -2.881 3.723 1.00 0.00 C ATOM 822 C LYS A 56 -7.571 -3.190 5.110 1.00 0.00 C ATOM 823 O LYS A 56 -8.740 -2.921 5.380 1.00 0.00 O ATOM 824 CB LYS A 56 -7.676 -3.667 2.595 1.00 0.00 C ATOM 825 CG LYS A 56 -8.187 -5.019 3.097 1.00 0.00 C ATOM 826 CD LYS A 56 -9.654 -4.929 3.517 1.00 0.00 C ATOM 827 CE LYS A 56 -9.893 -5.663 4.839 1.00 0.00 C ATOM 828 NZ LYS A 56 -11.037 -6.592 4.716 1.00 0.00 N ATOM 0 H LYS A 56 -5.255 -3.825 3.060 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.215 -1.831 3.519 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.506 -3.089 2.188 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -6.967 -3.822 1.782 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -8.075 -5.768 2.313 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.583 -5.349 3.942 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.943 -3.883 3.621 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -10.286 -5.358 2.739 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -8.997 -6.215 5.122 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.087 -4.941 5.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -11.185 -7.082 5.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.893 -6.057 4.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -10.838 -7.292 3.973 1.00 0.00 H new ATOM 842 N ARG A 57 -6.715 -3.751 5.951 1.00 0.00 N ATOM 843 CA ARG A 57 -7.116 -4.100 7.305 1.00 0.00 C ATOM 844 C ARG A 57 -6.813 -2.946 8.262 1.00 0.00 C ATOM 845 O ARG A 57 -7.664 -2.555 9.058 1.00 0.00 O ATOM 846 CB ARG A 57 -6.392 -5.358 7.787 1.00 0.00 C ATOM 847 CG ARG A 57 -7.302 -6.584 7.694 1.00 0.00 C ATOM 848 CD ARG A 57 -7.333 -7.346 9.019 1.00 0.00 C ATOM 849 NE ARG A 57 -8.667 -7.955 9.222 1.00 0.00 N ATOM 850 CZ ARG A 57 -9.044 -9.129 8.698 1.00 0.00 C ATOM 851 NH1 ARG A 57 -8.191 -9.829 7.938 1.00 0.00 N ATOM 852 NH2 ARG A 57 -10.274 -9.605 8.936 1.00 0.00 N ATOM 0 H ARG A 57 -5.746 -3.973 5.722 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.188 -4.295 7.294 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -5.497 -5.519 7.187 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.065 -5.221 8.818 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.312 -6.272 7.426 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.950 -7.243 6.900 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.566 -8.121 9.020 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.104 -6.670 9.842 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.341 -7.449 9.797 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.254 -9.468 7.758 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.479 -10.723 7.539 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.923 -9.073 9.516 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.561 -10.499 8.537 1.00 0.00 H new ATOM 866 N TYR A 58 -5.596 -2.433 8.152 1.00 0.00 N ATOM 867 CA TYR A 58 -5.169 -1.332 8.999 1.00 0.00 C ATOM 868 C TYR A 58 -5.587 0.013 8.402 1.00 0.00 C ATOM 869 O TYR A 58 -6.000 0.918 9.126 1.00 0.00 O ATOM 870 CB TYR A 58 -3.641 -1.403 9.045 1.00 0.00 C ATOM 871 CG TYR A 58 -2.944 -0.423 8.098 1.00 0.00 C ATOM 872 CD1 TYR A 58 -3.115 0.936 8.266 1.00 0.00 C ATOM 873 CD2 TYR A 58 -2.144 -0.898 7.079 1.00 0.00 C ATOM 874 CE1 TYR A 58 -2.459 1.859 7.375 1.00 0.00 C ATOM 875 CE2 TYR A 58 -1.489 0.024 6.189 1.00 0.00 C ATOM 876 CZ TYR A 58 -1.678 1.357 6.381 1.00 0.00 C ATOM 877 OH TYR A 58 -1.058 2.228 5.540 1.00 0.00 O ATOM 0 H TYR A 58 -4.892 -2.759 7.489 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.621 -1.411 9.988 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -3.309 -1.206 10.064 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.327 -2.417 8.798 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -3.740 1.307 9.065 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -2.009 -1.962 6.949 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -2.585 2.925 7.494 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -0.861 -0.335 5.387 1.00 0.00 H new ATOM 0 HH TYR A 58 -1.284 3.147 5.796 1.00 0.00 H new ATOM 887 N ILE A 59 -5.466 0.103 7.084 1.00 0.00 N ATOM 888 CA ILE A 59 -5.827 1.322 6.382 1.00 0.00 C ATOM 889 C ILE A 59 -7.317 1.600 6.585 1.00 0.00 C ATOM 890 O ILE A 59 -7.792 2.699 6.300 1.00 0.00 O ATOM 891 CB ILE A 59 -5.412 1.235 4.911 1.00 0.00 C ATOM 892 CG1 ILE A 59 -6.458 0.479 4.091 1.00 0.00 C ATOM 893 CG2 ILE A 59 -4.018 0.620 4.771 1.00 0.00 C ATOM 894 CD1 ILE A 59 -5.884 0.042 2.741 1.00 0.00 C ATOM 0 H ILE A 59 -5.123 -0.649 6.486 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.285 2.174 6.793 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.359 2.247 4.509 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.798 -0.395 4.646 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.329 1.114 3.932 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.747 0.569 3.716 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.293 1.236 5.303 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -4.019 -0.385 5.194 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -6.648 -0.494 2.177 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.567 0.920 2.179 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.028 -0.613 2.904 1.00 0.00 H new ATOM 906 N LEU A 60 -8.015 0.587 7.075 1.00 0.00 N ATOM 907 CA LEU A 60 -9.442 0.709 7.319 1.00 0.00 C ATOM 908 C LEU A 60 -9.696 1.892 8.256 1.00 0.00 C ATOM 909 O LEU A 60 -10.719 2.566 8.147 1.00 0.00 O ATOM 910 CB LEU A 60 -10.013 -0.615 7.832 1.00 0.00 C ATOM 911 CG LEU A 60 -11.423 -0.968 7.353 1.00 0.00 C ATOM 912 CD1 LEU A 60 -11.379 -1.687 6.004 1.00 0.00 C ATOM 913 CD2 LEU A 60 -12.175 -1.779 8.411 1.00 0.00 C ATOM 0 H LEU A 60 -7.619 -0.323 7.310 1.00 0.00 H new ATOM 0 HA LEU A 60 -9.971 0.919 6.389 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.338 -1.418 7.535 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.017 -0.588 8.922 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.976 -0.040 7.206 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.394 -1.927 5.686 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.910 -1.041 5.262 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.802 -2.607 6.101 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.174 -2.017 8.045 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.634 -2.703 8.614 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -12.254 -1.196 9.328 1.00 0.00 H new ATOM 925 N LYS A 61 -8.747 2.109 9.154 1.00 0.00 N ATOM 926 CA LYS A 61 -8.854 3.198 10.110 1.00 0.00 C ATOM 927 C LYS A 61 -7.621 3.202 11.014 1.00 0.00 C ATOM 928 O LYS A 61 -7.125 4.263 11.390 1.00 0.00 O ATOM 929 CB LYS A 61 -10.177 3.113 10.873 1.00 0.00 C ATOM 930 CG LYS A 61 -10.408 1.700 11.414 1.00 0.00 C ATOM 931 CD LYS A 61 -9.907 1.575 12.853 1.00 0.00 C ATOM 932 CE LYS A 61 -10.846 0.700 13.687 1.00 0.00 C ATOM 933 NZ LYS A 61 -10.552 0.853 15.130 1.00 0.00 N ATOM 0 H LYS A 61 -7.899 1.548 9.240 1.00 0.00 H new ATOM 0 HA LYS A 61 -8.872 4.158 9.593 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -10.172 3.826 11.698 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.999 3.393 10.215 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.471 1.460 11.373 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.893 0.976 10.782 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.905 1.146 12.857 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.831 2.565 13.303 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -11.882 0.977 13.489 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.734 -0.344 13.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.797 -0.026 15.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.540 1.054 15.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.113 1.639 15.517 1.00 0.00 H new ATOM 947 N GLU A 62 -7.160 2.002 11.337 1.00 0.00 N ATOM 948 CA GLU A 62 -5.994 1.853 12.191 1.00 0.00 C ATOM 949 C GLU A 62 -4.832 2.692 11.654 1.00 0.00 C ATOM 950 O GLU A 62 -3.891 2.996 12.385 1.00 0.00 O ATOM 951 CB GLU A 62 -5.594 0.382 12.321 1.00 0.00 C ATOM 952 CG GLU A 62 -6.668 -0.415 13.064 1.00 0.00 C ATOM 953 CD GLU A 62 -6.831 0.090 14.498 1.00 0.00 C ATOM 954 OE1 GLU A 62 -5.877 -0.106 15.282 1.00 0.00 O ATOM 955 OE2 GLU A 62 -7.907 0.662 14.780 1.00 0.00 O ATOM 0 H GLU A 62 -7.573 1.124 11.022 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.249 2.216 13.187 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.439 -0.045 11.330 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.646 0.305 12.853 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.618 -0.333 12.536 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.400 -1.471 13.075 1.00 0.00 H new ATOM 962 N ILE A 63 -4.936 3.043 10.380 1.00 0.00 N ATOM 963 CA ILE A 63 -3.906 3.841 9.737 1.00 0.00 C ATOM 964 C ILE A 63 -3.264 4.765 10.772 1.00 0.00 C ATOM 965 O ILE A 63 -3.886 5.724 11.226 1.00 0.00 O ATOM 966 CB ILE A 63 -4.479 4.578 8.525 1.00 0.00 C ATOM 967 CG1 ILE A 63 -3.425 5.486 7.888 1.00 0.00 C ATOM 968 CG2 ILE A 63 -5.748 5.346 8.900 1.00 0.00 C ATOM 969 CD1 ILE A 63 -3.186 6.731 8.743 1.00 0.00 C ATOM 0 H ILE A 63 -5.718 2.789 9.776 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.115 3.201 9.347 1.00 0.00 H new ATOM 0 HB ILE A 63 -4.761 3.838 7.776 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.491 4.937 7.769 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.750 5.782 6.891 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.135 5.861 8.021 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.499 4.649 9.272 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.516 6.076 9.675 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.433 7.359 8.268 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.117 7.290 8.840 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.838 6.432 9.732 1.00 0.00 H new ATOM 981 N ASP A 64 -2.024 4.446 11.115 1.00 0.00 N ATOM 982 CA ASP A 64 -1.289 5.236 12.088 1.00 0.00 C ATOM 983 C ASP A 64 -0.187 4.377 12.710 1.00 0.00 C ATOM 984 O ASP A 64 0.805 4.901 13.214 1.00 0.00 O ATOM 985 CB ASP A 64 -2.207 5.715 13.215 1.00 0.00 C ATOM 986 CG ASP A 64 -2.717 7.150 13.069 1.00 0.00 C ATOM 987 OD1 ASP A 64 -2.510 7.717 11.974 1.00 0.00 O ATOM 988 OD2 ASP A 64 -3.302 7.647 14.054 1.00 0.00 O ATOM 0 H ASP A 64 -1.510 3.651 10.736 1.00 0.00 H new ATOM 0 HA ASP A 64 -0.869 6.100 11.572 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.065 5.045 13.274 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.671 5.630 14.160 1.00 0.00 H new ATOM 993 N THR A 65 -0.397 3.069 12.654 1.00 0.00 N ATOM 994 CA THR A 65 0.566 2.132 13.205 1.00 0.00 C ATOM 995 C THR A 65 0.728 0.926 12.277 1.00 0.00 C ATOM 996 O THR A 65 1.848 0.504 11.991 1.00 0.00 O ATOM 997 CB THR A 65 0.106 1.756 14.615 1.00 0.00 C ATOM 998 OG1 THR A 65 1.017 0.736 15.016 1.00 0.00 O ATOM 999 CG2 THR A 65 -1.257 1.062 14.621 1.00 0.00 C ATOM 0 H THR A 65 -1.221 2.637 12.235 1.00 0.00 H new ATOM 0 HA THR A 65 1.557 2.581 13.279 1.00 0.00 H new ATOM 0 HB THR A 65 0.059 2.653 15.233 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.793 0.435 15.921 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.536 0.817 15.646 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.006 1.727 14.190 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.202 0.147 14.031 1.00 0.00 H new ATOM 1007 N LEU A 66 -0.406 0.406 11.832 1.00 0.00 N ATOM 1008 CA LEU A 66 -0.404 -0.743 10.942 1.00 0.00 C ATOM 1009 C LEU A 66 0.141 -1.961 11.690 1.00 0.00 C ATOM 1010 O LEU A 66 1.347 -2.071 11.910 1.00 0.00 O ATOM 1011 CB LEU A 66 0.355 -0.421 9.654 1.00 0.00 C ATOM 1012 CG LEU A 66 0.699 -1.615 8.762 1.00 0.00 C ATOM 1013 CD1 LEU A 66 0.753 -1.202 7.289 1.00 0.00 C ATOM 1014 CD2 LEU A 66 1.996 -2.286 9.217 1.00 0.00 C ATOM 0 H LEU A 66 -1.333 0.759 12.071 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.420 -0.988 10.633 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.240 0.283 9.072 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.282 0.088 9.919 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.096 -2.354 8.861 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.999 -2.069 6.677 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.217 -0.808 6.986 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.515 -0.434 7.154 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.216 -3.131 8.565 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.814 -1.567 9.168 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.883 -2.638 10.242 1.00 0.00 H new